Crystallography Open Database

Information card for entry 2227091

Preview

Coordinates	2227091.cif
Structure factors	2227091.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	[μ-1,2-Bis(diphenylphosphino)ethane-κ^2^<i>P</i>:<i>P</i>']bis{[1,2- bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>']cyanidocopper(I)} methanol disolvate
Formula	C82 H80 Cu2 N2 O2 P6
Calculated formula	C82 H80 Cu2 N2 O2 P6
SMILES	C(#N)[Cu]1([P](CC[P](c2ccccc2)(c2ccccc2)[Cu]2(C#N)[P](CC[P]2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.OC.OC
Title of publication	[μ-1,2-Bis(diphenylphosphino)ethane-κ^2^<i>P</i>:<i>P</i>']bis{[1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>']cyanidocopper(I)} methanol disolvate
Authors of publication	Wang, Rong; Xiao, Ye-Lan; Jin, Qiong-Hua; Zhang, Cun-Lin
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	8
Pages of publication	m1032
a	23.423 ± 0.002 Å
b	17.7912 ± 0.0016 Å
c	17.6614 ± 0.0018 Å
α	90°
β	92.194 ± 0.001°
γ	90°
Cell volume	7354.5 ± 1.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0959
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.113
Weighted residual factors for all reflections included in the refinement	0.1494
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181191 (current)	2016-04-03	hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/70.	2227091.cif 2227091.hkl
176789	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22.	2227091.cif 2227091.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2227091.cif 2227091.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2227091.cif 2227091.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2227091.cif 2227091.hkl
1704	2010-11-03	hkl/2/ Adding Fobs files for the recently deposited IUCr data.	2227091.cif 2227091.hkl
1553	2010-10-08	cif/2/ Adding data from Acta-Cryst-E-2010_08/.	2227091.cif